CHEBI:174438 - Retrofractamide C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Retrofractamide C
ChEBI ID CHEBI:174438
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H27NO3
Net Charge 0
Average Mass 329.440
Monoisotopic Mass 329.19909
InChI InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7-13,16H,3-6,14-15H2,1-2H3,(H,21,22)/b9-7+,10-8+
InChIKey PAXQNYHJDFKFEU-FIFLTTCUSA-N
SMILES O1C=2C=C(\C=C\CCCC/C=C/C(=O)NCC(C)C)C=CC2OC1
ChEBI Ontology
Outgoing Retrofractamide C (CHEBI:174438) is a benzodioxoles (CHEBI:38298)
IUPAC Name
(2E,8E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,8-dienamide
Manual Xrefs Databases
23321408 ChemSpider
HMDB0033448 HMDB
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